3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide

C8H17F2N3O2S — CID 155056242

IUPAC3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CCC(F)F)S(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C8H17F2N3O2S/c1-12(4-3-8(9)10)16(14,15)13-5-2-7(11)6-13/h7-8H,2-6,11H2,1H3
InChIKeyQCLLHAGWTCPEEI-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.15
Rot. Bonds5

About 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide

3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 155056242) has the molecular formula C8H17F2N3O2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID155056242
Molecular FormulaC8H17F2N3O2S
Molecular Weight257.31 g/mol
Exact Mass257.10
IUPAC Name3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CCC(F)F)S(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C8H17F2N3O2S/c1-12(4-3-8(9)10)16(14,15)13-5-2-7(11)6-13/h7-8H,2-6,11H2,1H3
InChIKeyQCLLHAGWTCPEEI-UHFFFAOYSA-N
XLogP-0.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 59298226
N-(Pyrrolidine-3alpha-yl)trifluoromethanesulfonamide
CID 71194434
1-Trifluoromethanesulfonylpyrrolidin-3-amine
CID 62069219
(R)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine
CID 94340385
(S)-1-((Trifluoromethyl)sulfonyl)pyrrolidin-3-amine
CID 94340386
(3R,4S)-3-amino-N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3,4-dimethylpyrrolidine-1-sulfonamide
CID 155056217
N-[(3R)-4,4-difluoropyrrolidin-3-yl]methanesulfonamide
CID 169240283
1,1,1-trifluoro-N-[2-(1-propylpyrrolidin-1-ium-1-yl)ethyl]methanesulfonamide
CID 169983348
N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010664
N-ethyl-1,1-difluoro-N-pyrrolidin-3-ylmethanesulfonamide
CID 60805312
1,1-difluoro-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 60806327
1,1-difluoro-N-propyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 60807175

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide (CID 155056242) is 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide is CN(CCC(F)F)S(=O)(=O)N1CCC(N)C1.
What is the InChIKey of 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is QCLLHAGWTCPEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2S/c1-12(4-3-8(9)10)16(14,15)13-5-2-7(11)6-13/h7-8H,2-6,11H2,1H3.
What are the key properties of 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide?
3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 155056242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).